ethyl (3S)-1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(1-naphthylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(1-naphthalenylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(1-naphthylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H24N2O3/c1-2-25-20(24)16-9-6-12-22(13-16)14-19(23)21-18-11-5-8-15-7-3-4-10-17(15)18/h3-5,7-8,10-11,16H,2,6,9,12-14H2,1H3,(H,21,23)/p+1/t16-/m0/s1